5-bromanyl-6-(4-methylpiperazin-1-yl)-2-phenylmethoxy-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-bromanyl-6-(4-methylpiperazin-1-yl)-2-phenylmethoxy-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-benzyloxy-5-bromo-6-(4-methylpiperazin-1-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-bromo-6-(4-methyl-1-piperazinyl)-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione IUPAC Name: 5-bromo-6-(4-methylpiperazin-1-yl)-2-phenylmethoxybenzo[de]isoquinoline-1,3-dione Traditional Name: 2-benzoxy-5-bromo-6-(4-methylpiperazino)benzo[de]isoquinoline-1,3-quinone Formula: C24H22BrN3O3 MolecularWeight: 480.35378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)OCC5=CC=CC=C5)Br

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)OCC5=CC=CC=C5)Br

InChI

InChI=1S/C24H22BrN3O3/c1-26-10-12-27(13-11-26)22-17-8-5-9-18-21(17)19(14-20(22)25)24(30)28(23(18)29)31-15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3